2G1S
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![BU of 2g1s by Molmil](/molmil-images/mine/2g1s) | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring | Descriptor: | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-14 | Release date: | 2006-06-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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2RCK
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![BU of 2rck by Molmil](/molmil-images/mine/2rck) | Crystal structure of juvenile hormone binding protein from Galleria mellonella hemolymph | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Juvenile hormone binding protein, ... | Authors: | Kolodziejczyk, R, Bujacz, G, Jakob, M, Ozyhar, A, Jaskolski, M, Kochman, M. | Deposit date: | 2007-09-20 | Release date: | 2008-03-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Insect Juvenile Hormone Binding Protein Shows Ancestral Fold Present in Human Lipid-Binding Proteins. J.Mol.Biol., 377, 2008
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7D7V
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![BU of 7d7v by Molmil](/molmil-images/mine/7d7v) | |
2G28
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![BU of 2g28 by Molmil](/molmil-images/mine/2g28) | E. Coli Pyruvate Dehydrogenase H407A variant Phosphonolactylthiamin Diphosphate Complex | Descriptor: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, MAGNESIUM ION, Pyruvate dehydrogenase E1 component | Authors: | Furey, W, Arjunan, P, Chandrasekhar, K. | Deposit date: | 2006-02-15 | Release date: | 2006-04-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Thiamin-bound, Pre-decarboxylation Reaction Intermediate Analogue in the Pyruvate Dehydrogenase E1 Subunit Induces Large Scale Disorder-to-Order Transformations in the Enzyme and Reveals Novel Structural Features in the Covalently Bound Adduct. J.Biol.Chem., 281, 2006
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5HXX
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![BU of 5hxx by Molmil](/molmil-images/mine/5hxx) | Crystal structure of AspAT from Corynebacterium glutamicum | Descriptor: | 2-OXOGLUTARIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ASPARTATE AMINOTRANSFERASE, ... | Authors: | Son, H.-F, Kim, K.-J. | Deposit date: | 2016-01-31 | Release date: | 2016-02-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into a novel class of aspartate aminotransferase from Corynebacterium glutamicum To be published
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7S5N
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![BU of 7s5n by Molmil](/molmil-images/mine/7s5n) | |
5HYA
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![BU of 5hya by Molmil](/molmil-images/mine/5hya) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchangerNCX_Mj soaked with 150 mM Na+ and nominal Ca2+ | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ACETATE ION, CALCIUM ION, ... | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | Deposit date: | 2016-02-01 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger Nat.Struct.Mol.Biol., 23, 2016
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5HKV
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![BU of 5hkv by Molmil](/molmil-images/mine/5hkv) | The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with lincomycin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23s ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Yonath, A, Matzov, D, Eyal, Z, Ben Hamou, R, Zimmerman, E, Rozenberg, H, Bashan, A, Fridman, M. | Deposit date: | 2016-01-14 | Release date: | 2017-05-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.66 Å) | Cite: | Structural insights of lincosamides targeting the ribosome of Staphylococcus aureus. Nucleic Acids Res., 45, 2017
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7S5E
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2GAE
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![BU of 2gae by Molmil](/molmil-images/mine/2gae) | Crystal structure of MltA from E. coli | Descriptor: | Membrane-bound lytic murein transglycosylase A | Authors: | Powell, A.J, Liu, Z.J, Nicholas, R.A, Davies, C. | Deposit date: | 2006-03-08 | Release date: | 2006-05-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of the Lytic Transglycosylase MltA from N.gonorrhoeae and E.coli: Insights into Interdomain Movements and Substrate Binding. J.Mol.Biol., 359, 2006
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5HYL
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![BU of 5hyl by Molmil](/molmil-images/mine/5hyl) | Crystal structure of DR2231_E47A mutant in complex with dUMPNPP and magnesium | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DR2231, MAGNESIUM ION | Authors: | Mota, C.S, Goncalves, A.M.D, de Sanctis, D. | Deposit date: | 2016-02-01 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Deinococcus radiodurans DR2231 is a two-metal-ion mechanism hydrolase with exclusive activity on dUTP. FEBS J., 283, 2016
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6XF8
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![BU of 6xf8 by Molmil](/molmil-images/mine/6xf8) | DLP 5 fold | Descriptor: | Inner capsid protein lambda-1, Inner capsid protein sigma-2, Outer capsid protein mu-1, ... | Authors: | Sutton, G, Sun, D.P, Fu, X.F, Kotecha, A, Hecksel, G.W, Clare, D.K, Zhang, P, Stuart, D, Boyce, M. | Deposit date: | 2020-06-15 | Release date: | 2020-09-23 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | Assembly intermediates of orthoreovirus captured in the cell. Nat Commun, 11, 2020
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2GAU
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![BU of 2gau by Molmil](/molmil-images/mine/2gau) | Crystal structure of transcriptional regulator, Crp/Fnr family from Porphyromonas gingivalis (APC80792), Structural genomics, MCSG | Descriptor: | transcriptional regulator, Crp/Fnr family | Authors: | Rotella, F.J, Zhang, R.G, Mulligan, R, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-03-09 | Release date: | 2006-04-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The 1.9-A crystal structure of transcriptional regulator, Crp/Fnr family from Porphyromonas gingivalis To be Published
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2G4S
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![BU of 2g4s by Molmil](/molmil-images/mine/2g4s) | Anomalous substructure of NBR1PB1 | Descriptor: | ACETIC ACID, CHLORIDE ION, Next to BRCA1 gene 1 protein | Authors: | Mueller-Dieckmann, C, Weiss, M.S. | Deposit date: | 2006-02-22 | Release date: | 2007-02-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths. Acta Crystallogr.,Sect.D, 63, 2007
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3L73
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![BU of 3l73 by Molmil](/molmil-images/mine/3l73) | Cytochrome BC1 complex from chicken with triazolone inhibitor | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 4-[7-(3,3-dimethylbut-1-yn-1-yl)naphthalen-1-yl]-5-methoxy-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, CARDIOLIPIN, ... | Authors: | Huang, L, Berry, E.A. | Deposit date: | 2009-12-27 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Famoxadone and related inhibitors bind like methoxy acrylate inhibitors in the Qo site of the BC1 compl and fix the rieske iron-sulfur protein in a positio close to but distinct from that seen with stigmatellin and other "DISTAL" Qo inhibitors. To be Published
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7S14
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![BU of 7s14 by Molmil](/molmil-images/mine/7s14) | Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae 86-028NP | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kim, Y, Maltseva, N, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-08-31 | Release date: | 2021-10-06 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens. Microbiol Spectr, 10, 2022
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2G6F
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7D7Z
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![BU of 7d7z by Molmil](/molmil-images/mine/7d7z) | |
7S2N
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7SBC
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2G8A
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![BU of 2g8a by Molmil](/molmil-images/mine/2g8a) | Lactobacillus casei Y261M in complex with substrate, dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase | Authors: | Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 2006-03-02 | Release date: | 2006-03-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261 Biochemistry, 45, 2006
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6XRB
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![BU of 6xrb by Molmil](/molmil-images/mine/6xrb) | Crystal structure of SciW from Salmonella typhimurium | Descriptor: | SciW, TRIETHYLENE GLYCOL | Authors: | Sachar, K, Ahmad, S, Whitney, J.C, Prehna, G. | Deposit date: | 2020-07-11 | Release date: | 2020-12-30 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural basis for effector transmembrane domain recognition by type VI secretion system chaperones. Elife, 9, 2020
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5HGP
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7S2H
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![BU of 7s2h by Molmil](/molmil-images/mine/7s2h) | Crystal structure of Trypanosoma cruzi glucokinase in the apo form (open conformation) | Descriptor: | CITRATE ANION, Glucokinase 1, putative, ... | Authors: | Kearns, S.P, Daneshian, L, Swartz, P.D, Carey, S.M, Chruszcz, M, D'Antonio, E.L. | Deposit date: | 2021-09-03 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Trypanosoma cruzi glucokinase in the apo form (open conformation) To Be Published
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2RC3
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![BU of 2rc3 by Molmil](/molmil-images/mine/2rc3) | Crystal structure of CBS domain, NE2398 | Descriptor: | BROMIDE ION, CBS domain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Dong, A, Xu, X, Korniyenko, Y, Yakunin, A, Zheng, H, Walker, J.R, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-09-19 | Release date: | 2007-10-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of CBS domain, NE2398. To be Published
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